2,684
edits
Wishlist: Difference between revisions
→Cosmetical: add _E.S.D. keywords
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* CORRECT should print out MAXIMUM_NUMBER_OF_PROCESSORS= , and the actual number of processors used. --[[User:Kay|Kay]] 13:55, 12 November 2007 (CET) | * CORRECT should print out MAXIMUM_NUMBER_OF_PROCESSORS= , and the actual number of processors used. --[[User:Kay|Kay]] 13:55, 12 November 2007 (CET) | ||
* CORRECT should print out NBATCH= ; one currently has to "grep NXBIN CORRECT.LP|head -1" to find out. | * CORRECT should print out NBATCH= ; one currently has to "grep NXBIN CORRECT.LP|head -1" to find out. | ||
* INTEGRATE should print out NUMBER_OF_PROFILE_GRID_POINTS_ALONG_ALPHA/BETA= and NUMBER_OF_PROFILE_GRID_POINTS_ALONG_GAMMA= | * INTEGRATE should print out NUMBER_OF_PROFILE_GRID_POINTS_ALONG_ALPHA/BETA= and NUMBER_OF_PROFILE_GRID_POINTS_ALONG_GAMMA=, as well as BEAM_DIVERGENCE= BEAM_DIVERGENCE_E.S.D.= | ||
REFLECTING_RANGE= REFLECTING_RANGE_E.S.D.= if these are given in XDS.INP. The latter enable to reproduce a given run just from the .LP file; the former is less important since one can simply count the number of points along alpha/beta and gamma, respectively, in the printed profiles. | |||
== Notes == | == Notes == | ||
See [[old wishes]] to find out which things were implemented. | See [[old wishes]] to find out which things were implemented. | ||